Concept information
Preferred term
n-[(2s,3r,4s,5r)-1,4,5,6-tetrahydroxy-3-[(2r,3r,4s,5s,6r)-5-hydroxy-6-(hydroxymethyl)-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxyhexan-2-yl]acetamide
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C26H47NO20
inchi
- InChI=1S/C26H47NO20/c1-7-13(34)17(38)19(40)24(42-7)47-23-22(46-25-20(41)18(39)15(36)11(5-30)43-25)16(37)12(6-31)44-26(23)45-21(14(35)10(33)4-29)9(3-28)27-8(2)32/h7,9-26,28-31,33-41H,3-6H2,1-2H3,(H,27,32)/t7-,9-,10+,11+,12+,13+,14-,15-,16-,17+,18-,19-,20+,21+,22-,23+,24-,25+,26-/m0/s1
inchikey
- AZDNSYNPSKDTNA-GSIGSVRUSA-N
mass
- 693.649
monoisotopicmass
- 693.26914
smiles
- O([C@@H]1[C@@H](O[C@@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C)[C@@H](O[C@@H]([C@@H]1O)CO)O[C@H]([C@@H](NC(=O)C)CO)[C@@H](O)[C@H](O)CO)[C@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO
subset
- 2_STAR
synonym RELATED
- WURCS=2.0/4,4,3/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5]/1-2-3-4/a3-b1_b2-c1_b3-d1
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:149237
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